3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide

C23H28N2O3 — CID 110426827

IUPAC3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
SMILESCC1CN(C(=O)c2cccc(NC(=O)CC(C)(C)c3ccccc3)c2)CCO1
InChIInChI=1S/C23H28N2O3/c1-17-16-25(12-13-28-17)22(27)18-8-7-11-20(14-18)24-21(26)15-23(2,3)19-9-5-4-6-10-19/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,24,26)
InChIKeyMASJCLPCRWBBGW-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.85
Rot. Bonds5

About 3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide

3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide (PubChem CID 110426827) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
PubChem CID110426827
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
SMILESCC1CN(C(=O)c2cccc(NC(=O)CC(C)(C)c3ccccc3)c2)CCO1
InChIInChI=1S/C23H28N2O3/c1-17-16-25(12-13-28-17)22(27)18-8-7-11-20(14-18)24-21(26)15-23(2,3)19-9-5-4-6-10-19/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,24,26)
InChIKeyMASJCLPCRWBBGW-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 110671876
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea
CID 110605020
4-fluoro-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 46430432
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110614500
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352983
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate
CID 134039996
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110614506
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide?
The IUPAC name of 3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide (CID 110426827) is 3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide?
The canonical SMILES for 3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide is CC1CN(C(=O)c2cccc(NC(=O)CC(C)(C)c3ccccc3)c2)CCO1.
What is the InChIKey of 3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide?
The InChIKey is MASJCLPCRWBBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-16-25(12-13-28-17)22(27)18-8-7-11-20(14-18)24-21(26)15-23(2,3)19-9-5-4-6-10-19/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,24,26).
What are the key properties of 3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide?
3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide has a molecular weight of 380.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide is sourced from PubChem (CID 110426827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).